Molecule

ID:75403

General Information
Structure
Molecular Formula
C₁₃H₁₁ClO₃S
Molecular Mass
282.74264
Exact Mass
282.01174289
Charge
0
InChI
InChI=1S/C13H11ClO3S/c1-10-4-2-3-5-13(10)17-11-6-8-12(9-7-11)18(14,15)16/h2-9H,1H3
InChIKey
IJPKGMOVNZHZKZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
O(c1ccc(cc1)S(=O)(=O)Cl)c1ccccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9332573
LogD (pH = 7.4)
3.9332573
Log P
3.9332573
Molar Refractivity
71.5342
Polarizability
28.452978
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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